Structure of PDB 5hwg Chain A Binding Site BS01

Receptor Information
>5hwg Chain A (length=175) Species: 273678 (Microbacterium hydrocarbonoxydans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRRTVVLAIDLQAGVTPGCFDEEGVLSRAAALVERARAGGVPVVWVHHDP
VGVGTPEWELAAPLHRAEGEPLVRKNYRDSFADTTLRETLDELGATHLVI
TGAQSDFAVRTTMQRAAAEGYDVTLVSDAHTTVDTEWEGVRISGEQIVAH
TNMYFSGLRYPGQEFVIATHDHVAL
Ligand information
Ligand ID66Y
InChIInChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1
InChIKeyDDUFYKNOXPZZIW-CRCLSJGQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1[C@@H]2C=C[C@H]1NC2=O
ACDLabs 12.01C1C2NC(=O)C1C=C2
CACTVS 3.385O=C1N[C@H]2C[C@@H]1C=C2
CACTVS 3.385O=C1N[CH]2C[CH]1C=C2
OpenEye OEToolkits 2.0.4C1C2C=CC1NC2=O
FormulaC6 H7 N O
Name(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one
ChEMBL
DrugBank
ZINCZINC000000158452
PDB chain5hwg Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5hwg Structure of a cysteine hydrolase
Resolution1.99 Å
Binding residue
(original residue number in PDB)		D13 H51 Q107 F110 A111
Binding residue
(residue number reindexed from 1)		D10 H48 Q104 F107 A108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5hwg, PDBe:5hwg, PDBj:5hwg
PDBsum5hwg
PubMed
UniProtA0A0K0XHU0

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